UCSF

ZINC48276440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 12.47 -14.88 0 6 0 64 413.525 6
Lo Low (pH 4.5-6) 3.07 12.82 -43.82 1 6 1 65 414.533 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )